Chemical Properties of Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]- (CAS 671-16-9)

InChI

InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)

InChI Key

CPTBDICYNRMXFX-UHFFFAOYSA-N

Formula

C12H19N3O

SMILES

CNNCc1ccc(C(=O)NC(C)C)cc1

Molecular Weight¹

221.30

CAS

671-16-9

Other Names

• p-Toluamide, N-isopropyl-«alpha»-(2-methylhydrazino)-
• Ibenzmethyzine
• 2-(p-Isopropylcarbamoylbenzyl)-1-methylhydrazine
• N-Isopropyl-«alpha»-(2-methylhydrazino)-p-toluamide
• 4-((2-Methylhydrazino)methyl)-N-isopropylbenzamide
• 1-Methyl-2-(p-(isopropylcarbamoyl)benzyl)hydrazine
• MIH
• Natulan
• NSC-77213
• PCB
• Procarbazin
• Procarbazine
• RO 4-6467
• N-(1-Methylethyl)-4-[(2-methylhydrazino)methyl]benzamide
• CB 400-497
• p-(2-Methylhydrazinomethyl)-N-isopropylbenzamide

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6664		Relay (1.0) Calculated Property
ΔfG°	289.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-91.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.86	kJ/mol	Joback Calculated Property
ΔvapH°	91.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
log10WS	-1.63		Relay (1.0) Calculated Property
logPoct/wat	1.049		Crippen Calculated Property
McVol	187.690	ml/mol	McGowan Calculated Property
Pc	2646.11	kPa	Joback Calculated Property
Inp	[1975.00; 1990.00]
Inp	1990.00		NIST
Inp	1975.00		NIST
Tboil	589.46	K	Relay (1.0) Calculated Property
Tc	834.97	K	Relay (1.0) Calculated Property
Tfus	380.15	K	Relay (1.0) Calculated Property
Vc	0.666	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.21; 597.63]	J/mol×K	[709.56; 921.85]
Cp,gas	525.21	J/mol×K	709.56	Joback Calculated Property
Cp,gas	539.51	J/mol×K	744.94	Joback Calculated Property
Cp,gas	552.87	J/mol×K	780.32	Joback Calculated Property
Cp,gas	565.32	J/mol×K	815.70	Joback Calculated Property
Cp,gas	576.90	J/mol×K	851.08	Joback Calculated Property
Cp,gas	587.66	J/mol×K	886.46	Joback Calculated Property
Cp,gas	597.63	J/mol×K	921.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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